Home Other Building Blocks 1-(2,5-DIMETHOXYPHENYL)-2-THIOUREA

1-(2,5-DIMETHOXYPHENYL)-2-THIOUREA

CAS No.:
67617-98-5
Catalog Number:
AG003S87
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
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Product Description
Catalog Number:
AG003S87
Chemical Name:
1-(2,5-DIMETHOXYPHENYL)-2-THIOUREA
CAS Number:
67617-98-5
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD00022163
IUPAC Name:
(2,5-dimethoxyphenyl)thiourea
InChI:
InChI=1S/C9H12N2O2S/c1-12-6-3-4-8(13-2)7(5-6)11-9(10)14/h3-5H,1-2H3,(H3,10,11,14)
InChI Key:
ZLGQKHQZDDTIFW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=S)N)OC
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties